F760-0079 Screening compound: N-[(3-methylphenyl)methyl]-1-(1H-pyrrol-1-yl)cyclohexane-1-carboxamide

F760-0079 Screening compound: N-[(3-methylphenyl)methyl]-1-(1H-pyrrol-1-yl)cyclohexane-1-carboxamide
F760-0079 Screening compound: N-[(3-methylphenyl)methyl]-1-(1H-pyrrol-1-yl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F760-0079
N-[(3-methylphenyl)methyl]-1-(1H-pyrrol-1-yl)cyclohexane-1-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F760-0079

Molecular Formula

C19H24N2O (C19 H24 N2 O)

Compound Name

N-[(3-methylphenyl)methyl]-1-(1H-pyrrol-1-yl)cyclohexane-1-carboxamide

IUPAC name

N-[(3-methylphenyl)methyl]-1-(1H-pyrrol-1-yl)cyclohexane-1-carboxamide

SMILES

Cc1cccc(CNC(C2(CCCCC2)n2cccc2)=O)c1

InChI

InChI=1S/C19H24N2O/c1-16-8-7-9-17(14-16)15-20-18(22)19(10-3-2-4-11-19)21-12-5-6-13-21/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,20,22)

InChI Key

AUUZHHLKGHSXHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14965985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.555

Distribution Coefficient, logD

4.555

Water Solubility, LogSw

-4.32

Polar Surface Area

28.454

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

F760-0079 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with F760-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F760-0079?
Check Price and Availability of F760-0079, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F760-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F760-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F760-0079
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F760-0079 available by request